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Ethyl 7-(4-chlorophenyl)-2-methylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID DagU7qXPn0o
InChI InChI=1S/C16H17ClN4O2S/c1-4-23-14(22)12-9(2)18-15-19-16(24-3)20-21(15)13(12)10-5-7-11(17)8-6-10/h5-8,13H,4H2,1-3H3,(H,18,19,20)
InChIKey IKPNAIVSKQELDM-UHFFFAOYSA-N
Mol Weight 364.85 g/mol
Molecular Formula C16H17ClN4O2S
Exact Mass 364.076075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 495VeSUtfc
Name Ethyl 7-(4-chlorophenyl)-2-methylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN4O2S
InChI InChI=1S/C16H17ClN4O2S/c1-4-23-14(22)12-9(2)18-15-19-16(24-3)20-21(15)13(12)10-5-7-11(17)8-6-10/h5-8,13H,4H2,1-3H3,(H,18,19,20)
InChIKey IKPNAIVSKQELDM-UHFFFAOYSA-N
Molecular Weight 364.851 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SC)c1ccc(cc1)Cl)C(=O)OCC)C
SPLASH splash10-014i-0149000000-678375e455b4edc34799
Source of Spectrum Y-46-144-5c
Synonyms Ethyl 7-(4-chlorophenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666716